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873962-83-5 | 3,5-Isoxazoledicarboxamide
CAS No: 873962-83-5 Catalog No: AG004JV3 MDL No:
Product Description
Catalog Number:
AG004JV3
Chemical Name:
3,5-Isoxazoledicarboxamide
CAS Number:
873962-83-5
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
IUPAC Name:
1,2-oxazole-3,5-dicarboxamide
InChI:
InChI=1S/C5H5N3O3/c6-4(9)2-1-3(5(7)10)11-8-2/h1H,(H2,6,9)(H2,7,10)
InChI Key:
QXMFLVHGOUBIRP-UHFFFAOYSA-N
SMILES:
NC(=O)c1onc(c1)C(=O)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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